As a leading Ethyl (+-)-1-(p-fluoro-alpha-methylbenzyl)imidazole-5-carboxylate supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.
What is the chemical structure of Ethyl (±) -1- (p-fluoro-alpha-methylbenzyl) imidazole-5-carboxylate?
Ethyl (±) -1- (p - fluoro - α - methyl benzyl) imidazole - 5 - carboxylate is one of the organic compounds. Its chemical structure includes several parts:
The first is an imidazole ring, which is a five-membered heterocycle containing two nitrogen atoms. It is aromatic and common in many bioactive molecules and drug structures. The imidazole ring of this compound is connected to a substituent at 1 position. The substituent at
1 position is (p - fluoro - α - methyl benzyl), that is, p-fluoro - α - methyl benzyl. The benzyl group, benzyl, is also a phenyl-linked methylene (-CH 2O -) structure. The p-position of the benzyl group has a fluorine atom substitution, and the α-position of the methylene connected to the benzene ring (the ortho-position of the carbon atom directly connected to the benzene ring) has a methyl substitution.
Furthermore, the 5-position of the imidazole ring is connected to a carboxylethyl ester structure, namely - COOCH -2 CH
, which is an ester group, which is formed by esterification of a carboxyl group (-COOH) with ethanol (CH _ CH _ OH).
In summary, the chemical structure of Ethyl (±) -1- (p - fluoro - α - methyl benzyl) imidazole-5 - carboxylate is composed of imidazole ring, specific substituted benzyl group and carboxylethyl ester. This structure endows the compound with specific physical and chemical properties, and may have specific uses and reactivity in the fields of organic synthesis and medicinal chemistry.
What are the physical properties of Ethyl (±) -1- (p-fluoro-alpha-methylbenzyl) imidazole-5-carboxylate?
Ethyl (±) -1- (p-fluoro-α-methylbenzyl) imidazole-5-carboxylate is an organic compound. Its physical properties are quite important, which is related to its performance and application in various scenarios.
Looking at its properties, under normal circumstances, it may be a crystalline solid, because the compounds of this type of structure tend to form a regular lattice, resulting in a solid state. The crystalline form can affect its subsequent operations and processing, such as grinding, sieving, etc.
Melting point is also a key property. The melting point of this compound, or in a specific temperature range. Melting point determination can help determine the purity. If the purity is high, the melting point range is usually narrow; the presence of impurities will reduce the melting point and widen the melting range.
In terms of solubility, in organic solvents, such as common ethanol, dichloromethane, etc., it may exhibit some solubility. This is related to the polar groups and non-polar parts in its molecular structure. The polar carboxyl ethyl ester and imidazole ring part, as well as the fluorine and alkyl benzene ring part, work together to make the compound behave differently in different polar solvents. In water, because of its relatively strong overall hydrophobicity, solubility may be limited.
In addition, the boiling point is also a consideration. Knowing the boiling point, when it involves separation, purification and other operations, such as distillation, it can be effectively separated from other substances according to the difference in boiling point.
Density cannot be ignored, it affects the distribution and behavior of the compound in solution or mixture. Understanding these physical properties is of great significance in the fields of organic synthesis, drug development, etc., and can help researchers better control the reaction process, optimize the purification method, and achieve the efficient preparation and application of the desired target product.
What are the main uses of Ethyl (±) -1- (p-fluoro-alpha-methylbenzyl) imidazole-5-carboxylate?
Ethyl (±) -1 - (p-fluoro-α-methylbenzyl) imidazole-5 -carboxylic acid ester is widely used in the field of pharmaceutical and chemical industry.
One of them is a key intermediate in the process of pharmaceutical research and development. When many new antifungal drugs are created, this compound is often relied on as the starting material. The characteristics of fluorine atoms and imidazole rings in its structure endow the drug with unique biological activity and pharmacological properties. Through chemical modification and structural optimization, the affinity of the drug to fungal cell membranes can be significantly enhanced, and then the growth and reproduction of fungi can be effectively inhibited, which opens up a new path for the treatment of fungal infections.
Second, in the field of organic synthesis, it is the cornerstone of the construction of complex imidazole derivatives. Because of its active reaction check point, it can participate in a variety of organic reactions, such as nucleophilic substitution, cyclization, etc. With exquisite synthesis strategies, a series of imidazole compounds with novel structures and specific functions can be constructed, which are widely used in materials science, pesticide chemistry and other fields. For example, through specific reaction modification, pesticide active ingredients with high selectivity, low toxicity and high efficiency to pests can be prepared, contributing to agricultural pest control.
Furthermore, in pharmaceutical chemistry research, as an important lead compound template. According to its structure, researchers can deeply explore the structure-activity relationship and gain insight into the relationship between molecular structure and biological activity. With this, rational design and development of more potential drug candidates can improve the efficiency of drug development and shorten the research and development cycle, which is of great significance for promoting the birth of innovative drugs.
What are the synthesis methods of Ethyl (±) -1- (p-fluoro-alpha-methylbenzyl) imidazole-5-carboxylate?
Ethyl (±) -1- (p-fluoro-α-methylbenzyl) imidazole-5 -carboxylate is an organic compound, and its synthesis methods are diverse. It can be compared to the ancient method described in "Tiangong Kaiwu", and it can be innovated by traditional methods.
First, it can be obtained from the basic raw materials through multi-step reaction. First, take fluorobenzaldehyde and acetone, catalyze with an alkaline catalyst, and perform a hydroxyaldehyde condensation reaction to obtain fluorine-containing α, β-unsaturated ketones. This step requires temperature control and time control to achieve a higher yield. The reaction formula is roughly: fluorobenzaldehyde + acetone $\ xrightarrow {basic catalyst} $fluorobenzaldehyde, β-unsaturated ketones.
Then, the obtained unsaturated ketone is reacted with methylamine, and through addition and other processes, a fluorine-containing amine compound is formed. This step requires attention to the ratio of reactants and reaction conditions to prevent side reactions from occurring.
Then, the amine compound is reacted with cyanoacetate ethyl ester under specific conditions to form a cyclization product. This cyclization process is a key step, with harsh conditions and precise control.
After that, it can gradually approach the target product through hydrolysis, decarboxylation and other reactions. The hydrolysis reaction requires a suitable acid-base environment to promote the transformation of functional groups such as ester groups. The decarboxylation reaction requires a specific temperature and catalyst to make the molecular structure meet the target requirements.
Second, there are other synthesis paths. A specific imidazole ring precursor can be prepared first, and then a fluorine-containing benzyl structure can be introduced. For example, an appropriate halogenated imidazole derivative and a fluorine-containing benzyl halide are used to perform nucleophilic substitution in the presence of metal catalysts and ligands. This reaction requires high catalyst activity, ligand selection and reaction solvent.
In addition, green synthesis methods can be explored, analogous to ancient methods that focus on natural materials and environmental protection, reduce the use of harmful reagents, optimize reaction conditions, improve atomic economy, and make synthesis more suitable for current needs. During the synthesis process, each step of the reaction requires fine operation, strict monitoring, and a variety of analytical methods, such as thin-layer chromatography, nuclear magnetic resonance, etc., to ensure that the reaction proceeds as expected to obtain high-purity Ethyl (±) -1- (p-fluoro-α-methylbenzyl) imidazole-5-carboxylate.
Ethyl (±) -1- (p-fluoro-alpha-methylbenzyl) imidazole-5-carboxylate What are the precautions during use?
Ethyl (±) -1- (p-fluoro-α-methylbenzyl) imidazole-5-carboxylate is an organic compound, and many precautions should be kept in mind during use.
Bear the brunt of it, and safety protection is essential. This compound may be toxic and irritating. When operating, be sure to wear appropriate protective equipment, such as laboratory clothes, gloves and goggles, to avoid skin contact and eye splashing. In case of inadvertent contact, rinse with plenty of water immediately and seek medical assistance according to the specific situation.
Secondly, its chemical properties cannot be ignored. Due to its structure containing specific functional groups, it may exhibit active chemical reactivity under specific conditions. When storing, it should be placed in a dry, cool and well-ventilated place, away from fire sources, heat sources and strong oxidants, etc., to prevent accidental chemical reactions from occurring, resulting in serious consequences such as fire and explosion. At the same time, the reaction conditions should also be precisely controlled during use, such as temperature, pH and reaction time, because it has a great impact on the process of the reaction and the purity of the product.
Furthermore, the operating environment is also very critical. The place of use should have good ventilation facilities to prevent its volatile gases from accumulating in the air and harming human health. After the experiment is completed, the residue and waste should be properly disposed of, in accordance with relevant environmental protection regulations, and must not be discarded at will to avoid pollution to the environment.
In addition, people who use this compound should fully understand its physical and chemical properties, safety data and corresponding emergency treatment measures in advance. Before conducting experiments or using, develop detailed operation procedures and emergency plans to ensure that in case of emergencies, they can respond quickly and effectively.